2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid

C112H138BBr2N19O25 — CID 161289466

About 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid

2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 161289466) has the molecular formula C112H138BBr2N19O25 and a molecular weight of 2321.06 g/mol. Its IUPAC name is 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
• PubChem CID: 161289466
• Molecular Formula: C112H138BBr2N19O25
• Molecular Weight: 2321.06 g/mol
• Exact Mass: 2317.86
• IUPAC Name: 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
• SMILES: Brc1ccccn1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nc2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
• InChI: InChI=1S/C32H39N5O5.C17H25BN2O6.C16H17N3O4.C16H19N3O2.C15H21N3O4.C11H13BrN2O4.C5H4BrN/c1-31(2,3)41-29(39)35-26-12-10-22(25-9-7-8-14-33-25)19-23(26)20-28(38)27-13-11-24(21-34-27)36-15-17-37(18-16-36)30(40)42-32(4,5)6;1-15(2,3)24-14(21)19-12-9-8-11(10-13(12)20(22)23)18-25-16(4,5)17(6,7)26-18;1-16(2,3)23-15(20)18-13-8-7-11(10-14(13)19(21)22)12-6-4-5-9-17-12;1-16(2,3)21-15(20)19-14-8-7-11(10-12(14)17)13-6-4-5-9-18-13;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11;1-11(2,3)18-10(15)13-8-5-4-7(12)6-9(8)14(16)17;6-5-3-1-2-4-7-5/h7-14,19,21H,15-18,20H2,1-6H3,(H,35,39);8-10H,1-7H3,(H,19,21);4-10H,1-3H3,(H,18,20);4-10H,17H2,1-3H3,(H,19,20);4-5,10H,6-9H2,1-3H3,(H,19,20);4-6H,1-3H3,(H,13,15);1-4H
• InChIKey: VGDUHDUDIYDRAL-UHFFFAOYSA-N
• XLogP: 24.28
• TPSA: 562.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2321.06
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid?

The IUPAC name of 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid (CID 161289466) is 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid is Brc1ccccn1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nc2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].

What is the InChIKey of 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid?

The InChIKey is VGDUHDUDIYDRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O5.C17H25BN2O6.C16H17N3O4.C16H19N3O2.C15H21N3O4.C11H13BrN2O4.C5H4BrN/c1-31(2,3)41-29(39)35-26-12-10-22(25-9-7-8-14-33-25)19-23(26)20-28(38)27-13-11-24(21-34-27)36-15-17-37(18-16-36)30(40)42-32(4,5)6;1-15(2,3)24-14(21)19-12-9-8-11(10-13(12)20(22)23)18-25-16(4,5)17(6,7)26-18;1-16(2,3)23-15(20)18-13-8-7-11(10-14(13)19(21)22)12-6-4-5-9-17-12;1-16(2,3)21-15(20)19-14-8-7-11(10-12(14)17)13-6-4-5-9-18-13;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11;1-11(2,3)18-10(15)13-8-5-4-7(12)6-9(8)14(16)17;6-5-3-1-2-4-7-5/h7-14,19,21H,15-18,20H2,1-6H3,(H,35,39);8-10H,1-7H3,(H,19,21);4-10H,1-3H3,(H,18,20);4-10H,17H2,1-3H3,(H,19,20);4-5,10H,6-9H2,1-3H3,(H,19,20);4-6H,1-3H3,(H,13,15);1-4H.

What are the key properties of 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid?

2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 2321.06 g/mol, XLogP of 24.28, 18 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 161289466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).